(3-fluoranyl-4-methoxy-phenyl)methyl 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylacetate CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]acetic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetate Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H21FN2O3S MolecularWeight: 400.466443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)OCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)OCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H21FN2O3S/c1-14-21(15(2)24(23-14)17-7-5-4-6-8-17)28-13-20(25)27-12-16-9-10-19(26-3)18(22)11-16/h4-11H,12-13H2,1-3H3